SCHEMBL14989121

SCHEMBL14989121

Cc1ccsc1OC(=O)Nc1cc(CNCCN2CCOCC2)ccc1/C=C/c1n[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.48
▸ AURKB Q96GD4 6/20 0.48
▸ PARP1 P09874 1/20 0.39
▸ HTT P42858 1/20 0.37
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ PDGFRB P09619 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPK10 P53779 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HSP90AA1 P07900 2/20 0.33
▸ HSP90AB1 P08238 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL14989099 0.90 AURKB (0.56) AURKAAURKB
SCHEMBL4308985 0.89 AURKA (0.60) AURKAAURKBPARP1HTTPDCD1
SCHEMBL4308994 0.89 AURKA (0.60) AURKAAURKBPARP1HTTPDCD1
SCHEMBL14989337 0.87 AURKA (0.49) AURKAAURKBPDGFRBMAPK10MEN1
SCHEMBL14989042 0.85 AURKA (0.59) AURKAAURKBPDGFRBKDRMAPK10
SCHEMBL14989004 0.85 AURKA (0.58) AURKAAURKBPDGFRBKDRMAPK10
SCHEMBL14988985 0.85 AURKA (0.46) AURKAAURKBHTTKDRMEN1
SCHEMBL14989290 0.84 AURKB (0.52) AURKAAURKB
SCHEMBL14989222 0.84 AURKA (0.57) AURKAAURKBHTTPDGFRBKDR
SCHEMBL14989122 0.84 AURKA (0.57) AURKAAURKBPARP1PDGFRBMAPK10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847532-B1 IGF-1R INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2013-06-05 — — EP claimed
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